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neighbor list skin is added to custom cutoff automatically

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This commit is contained in:
Axel Kohlmeyer
2023-06-29 21:32:04 -04:00
parent b7024288b6
commit ab1e090e0e
1 changed files with 1 additions and 1 deletions
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src/KIM/pair_kim.cpp
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@ -596,7 +596,7 @@ void PairKIM::init_style()
if (kim_cutoff_values[i] <= neighbor->skin) if (kim_cutoff_values[i] <= neighbor->skin)
error->all(FLERR,"Illegal neighbor request (force cutoff {:.3} <= skin {:.3})", error->all(FLERR,"Illegal neighbor request (force cutoff {:.3} <= skin {:.3})",
kim_cutoff_values[i], neighbor->skin); kim_cutoff_values[i], neighbor->skin);
req->set_cutoff(kim_cutoff_values[i] + neighbor->skin); req->set_cutoff(kim_cutoff_values[i]);
} }
// increment instance_me in case of need to change the neighbor list // increment instance_me in case of need to change the neighbor list
// request settings // request settings